Geometry & MOs

Info

ID:	157030
PubChem CID:	56413037
Reduced:	O2F3N3C24H28 (1)
Stoich.:	A2B3C3D24E28 (1)
Weight, g/mol:	421.116874
ΔH_f, kcal/mol:	-208.33
Dipole, Da:	4.37
IP(EA), eV:	-8.0(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-chlorophenyl)-5-[[2-[4-(trifluoromethyl)phenyl]piperidin-1-yl]methyl]-1,3,4-oxadiazole

Drug info:

PubChemData

Smile

C1CCN(C(C1)C2=CC=C(C=C2)C(F)(F)F)CC(=O)NC3=CC=C(C=C3)N4CCOCC4

DOS

IR

Vibrations